| SpectraBase Compound ID | 3XEHrmcAocu |
|---|---|
| InChI | InChI=1S/C12H17NO3S/c1-2-3-8-16-11(14)6-7-13-12(15)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,15) |
| InChIKey | UIDZMYUGPOKBEQ-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C12H17NO3S |
| Exact Mass | 255.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVRb0ZHjc8J |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.092914582 u |
| Formula | C12H17NO3S |
| InChI | InChI=1S/C12H17NO3S/c1-2-3-8-16-11(14)6-7-13-12(15)10-5-4-9-17-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,15) |
| InChIKey | UIDZMYUGPOKBEQ-UHFFFAOYSA-N |
| Molecular Weight | 255.332 g/mol |
| SMILES | CCCCOC(CCNC(C=1SC=CC1)=O)=O |